SCHEMBL4477075

SCHEMBL4477075

CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)cccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR3A P46098 1/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
GNRHR P30968 10/20 0.43
HTR6 P50406 3/20 0.42
PRKCI P41743 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13868913 0.88 TP53 (0.42) GNRHRNPC1RAB9AGFER
SCHEMBL4465207 0.81 HTR1A (0.46) HTR1AHTR3AHTR2AGNRHRHTR6
SCHEMBL4462439 0.80 LMNA (0.45) GNRHR
SCHEMBL4481231 0.76 GNRHR (0.70) GNRHR
SCHEMBL3274724 0.75 GNRHR (0.70) GNRHR
SCHEMBL4479487 0.75 GNRHR (0.68) GNRHR
SCHEMBL4476578 0.74 TNF (0.49) HTR1AHTR3AHTR2AHTR2CSLC6A4
SCHEMBL14666780 0.74 NPC1 (0.49) NPC1RAB9AGFER
SCHEMBL10236253 0.73 NPC1 (0.55) NPC1RAB9AGFER
SCHEMBL4476570 0.72 GNRHR (0.53) HTR2AGNRHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR HTR1A 854/4885HTR3A 848/4885HTR2A 717/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.